N-(diphenylmethyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(diphenylmethyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(diphenylmethyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3/c1-2-18-13-15-21(16-14-18)32-25-23(29(30)31)24(26-17-27-25)28-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,22H,2H2,1H3,(H,26,27,28)